2-benzofuran
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 314.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 324.80 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 80.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 113.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 117.98 | J mol-1 K-1 |
| Vibrational | 44.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 86.94 | kJ mol-1 |
Molecular Orbitals
- 1 -554.76 eV View
- 2 -301.14 eV View
- 3 -301.14 eV View
- 4 -300.22 eV View
- 5 -300.21 eV View
- 6 -300.09 eV View
- 7 -300.09 eV View
- 8 -300.07 eV View
- 9 -300.07 eV View
- 10 -37.89 eV View
- 11 -29.72 eV View
- 12 -26.76 eV View
- 13 -26.62 eV View
- 14 -24.78 eV View
- 15 -21.78 eV View
- 16 -20.40 eV View
- 17 -19.79 eV View
- 18 -17.93 eV View
- 19 -16.72 eV View
- 20 -16.00 eV View
- 21 -15.26 eV View
- 22 -14.98 eV View
- 23 -14.57 eV View
- 24 -14.15 eV View
- 25 -12.39 eV View
- 26 -12.26 eV View
- 27 -11.91 eV View
- 28 -11.33 eV View
- 29 -9.02 eV View
- 30 -7.83 eV View
- 31 -5.48 eV View
- 32 5.31 eV View
- 33 8.56 eV View
- 34 9.43 eV View
- 35 14.08 eV View
- 36 15.61 eV View
- 37 15.79 eV View
- 38 15.96 eV View
- 39 17.12 eV View
- 40 17.95 eV View
- 41 18.71 eV View
- 42 19.87 eV View
- 43 20.39 eV View
- 44 20.82 eV View
- 45 21.83 eV View
- 46 24.52 eV View
- 47 24.88 eV View
- 48 26.46 eV View
- 49 27.61 eV View
- 50 30.43 eV View
- 51 31.96 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 185.99 cm-1 View
- 2 219.52 cm-1 View
- 3 411.84 cm-1 View
- 4 417.92 cm-1 View
- 5 482.57 cm-1 View
- 6 517.87 cm-1 View
- 7 551.18 cm-1 View
- 8 611.08 cm-1 View
- 9 684.49 cm-1 View
- 10 758.47 cm-1 View
- 11 800.75 cm-1 View
- 12 821.60 cm-1 View
- 13 826.18 cm-1 View
- 14 880.16 cm-1 View
- 15 888.52 cm-1 View
- 16 922.65 cm-1 View
- 17 965.31 cm-1 View
- 18 1002.78 cm-1 View
- 19 1031.34 cm-1 View
- 20 1044.41 cm-1 View
- 21 1089.78 cm-1 View
- 22 1117.81 cm-1 View
- 23 1149.87 cm-1 View
- 24 1188.99 cm-1 View
- 25 1305.54 cm-1 View
- 26 1354.77 cm-1 View
- 27 1395.85 cm-1 View
- 28 1426.74 cm-1 View
- 29 1533.60 cm-1 View
- 30 1667.10 cm-1 View
- 31 1741.15 cm-1 View
- 32 1773.54 cm-1 View
- 33 1856.41 cm-1 View
- 34 3053.66 cm-1 View
- 35 3061.49 cm-1 View
- 36 3077.17 cm-1 View
- 37 3082.06 cm-1 View
- 38 3129.56 cm-1 View
- 39 3137.17 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.55 | kJ mol-1 |
| Polar Solvation Energy | -10.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 5.48 | kJ mol-1 |
| Surface Area | 115.15 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.19 | Debye |